SCHEMBL2401988

SCHEMBL2401988

N#CC(=CC1CCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 1/20 0.40
POLB P06746 1/20 0.39
CISD1 Q9NZ45 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC16A3 O15427 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SLC16A1 P53985 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EGFR P00533 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2401932 0.98 POLB (0.41) GRIK1GRIK2POLBCISD1KDM4E
SCHEMBL11442710 0.98 POLB (0.41) GRIK1GRIK2POLBCISD1KDM4E
SCHEMBL449227 0.98 POLB (0.41) GRIK1GRIK2POLBCISD1KDM4E
SCHEMBL13857888 0.91 EGFR (0.37) POLBCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL15156069 0.91 EGFR (0.37) POLBCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL11102084 0.91 EGFR (0.37) POLBCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL26080805 0.84 EGFR (0.33) POLBCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL19194988 0.81 POLB (0.34) POLB
SCHEMBL12921463 0.77 APP (0.37) POLBKDM4EALDH1A1CYP3A4HPGD
SCHEMBL973915 0.77 APP (0.37) POLBKDM4EALDH1A1CYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461630-B Luso replaces Buddhist nun's intermediate (R) 3(The base of 4 bromine 1H pyrazoles 1)The synthetic method of 3 cyclopenta propionitrile 武汉恒瑞达生物医药科技有限公司 2017-12-19 CN disclosed
EP-2366721-B1 Medical kit for use during negative pressure wound therapy AESCULAP AG (DE) 2016-08-10 EP disclosed
EP-2366721-A1 Medical kit for use during negative pressure wound therapy AESCULAP AG (DE) 2011-09-21 EP disclosed
US-20100035997-A1 KIT FOR APPLYING A POLYMERIZABLE ADHESIVE COMPOSITION TO TISSUES BROADLEY KENNETH N 2010-02-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100035997-A1 KIT FOR APPLYING A POLYMERIZABLE ADHESIVE COMPOSITION TO TISSUES KIT, TEKT1, CUTA GRIK1 2306/4885GRIK2 3077/4885POLB 1476/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.